6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid

C12H13N3O2S — CID 54981127

IUPAC6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid
SMILESCC(c1cccs1)N(C)c1ccc(C(=O)O)nn1
InChIInChI=1S/C12H13N3O2S/c1-8(10-4-3-7-18-10)15(2)11-6-5-9(12(16)17)13-14-11/h3-8H,1-2H3,(H,16,17)
InChIKeyFCNVSWXBZDJYET-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.43
Rot. Bonds4

About 6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid

6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid (PubChem CID 54981127) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid
PubChem CID54981127
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid
SMILESCC(c1cccs1)N(C)c1ccc(C(=O)O)nn1
InChIInChI=1S/C12H13N3O2S/c1-8(10-4-3-7-18-10)15(2)11-6-5-9(12(16)17)13-14-11/h3-8H,1-2H3,(H,16,17)
InChIKeyFCNVSWXBZDJYET-UHFFFAOYSA-N
XLogP2.43
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine
CID 62286701
6-(dimethylamino)pyridazine-3-carboxylic acid;hydrochloride
CID 91623623
4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 81243871
5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid
CID 62516387
5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 81439113
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate
CID 113306874
2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728
3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711
2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
CID 114194969
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 54980987
4-amino-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 55041564

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid (CID 54981127) is 6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid is CC(c1cccs1)N(C)c1ccc(C(=O)O)nn1.
What is the InChIKey of 6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid?
The InChIKey is FCNVSWXBZDJYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8(10-4-3-7-18-10)15(2)11-6-5-9(12(16)17)13-14-11/h3-8H,1-2H3,(H,16,17).
What are the key properties of 6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid?
6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 54981127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).